(Z)-3-hexen-1-yl tiglate
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IUPAC name :[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
InChI :InChI=1/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6+,10-5-
InChIKey :JNWQKXUWZWKUAY-BHHIIOOYBB
SMILES :CC\C=C/CCOC(=O)/C(=C\C)/C
cas number :67883-79-8
% from :96.00% to 99.90%
(EINECS) number :267-554-5
beilstein number :2961441
fema number :3931
jecfa number :1277
fl. number :09.559
molar refractivity :54.74 ± 0.3 cm3
parachor :465.1 ± 4.0 cm3
index of refraction :1.458 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.908 ± 0.06 g/cm3
polarizability :21.70 ± 0.5 10-24cm3
XlogP : 3.20
molecular weight : 182.2594200 (IUPAC)
formula :C11 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Bedoukian Research :cis-3-HEXENYL TIGLATE
≥96.05% (cis), Kosher
Odor:  Fresh, green, floral, fruity
Can be used as a fresh topnote in mixed floral fragrances or herbal compositions.
Flavor:  green
Used in melon flavors and also for woody notes in herbal flavors.
Charabot :hexenyl cis-3-tiglate
Inoue :CIS-3-HEXENYL TIGLATE
Moellhausen :cis-3-hexenyl tiglate
98.5% min. nature identical kosher
Odor:  green, herbal, fruity; aspects of green herbs
Penta :cis-3-hexenyl tiglate
SAFC Global® :cis-3-Hexenyl tiglate
≥97%, Kosher
Odor:  banana; fatty; vegetable; green; pepper; earthy
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in propylene glycol.  		green vegetable green banana earthy cortex herbal
Luebke, William tgsc, (1992)
odor sample from :Bedoukian Research, Inc.
odor description:
at 1.00 %.  		Green, earthy vegetative with mushroom and radish nuances
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
taste description:
at 1.00 - 5.00 ppm.  		Green vegetative mushroom with herbaceous and fatty nuances
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
substantivity :4  Hour(s)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91000 to 0.91800 @ 25.00 °C.
pounds per gallon - calc. : 7.572 to 7.639
refractive index :1.45600 to 1.46100 @ 20.00 °C.
boiling point : 140.00 °C. @ 30.00 mm Hg
boiling point : 105.00 °C. @ 5.00 mm Hg
vapor pressure :0.05720 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 146.00  °F.  TCC  ( 63.33 °C. )
logP (o/w) : 4.20
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :70.00 (μg/capita/day)
 
recommendation for (Z)-3-hexen-1-yl tiglate fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 19. Update in publication number(s) : 20
 average usual ppmaverage maximum ppm
baked goods : 16.0000030.00000
beverages(nonalcoholic) : 2.000005.00000
beverages(alcoholic) : 4.100008.10000
breakfast cereal : --
cheese : --
chewing gum : 0.100000.10000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 7.0000015.00000
fruit ices : --
gelatins / puddings : 4.000008.00000
granulated sugar : --
gravies : --
hard candy : 0.200000.20000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 2.000004.00000
meat products : --
milk products : 0.500005.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.000003.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
(EINECS) number :267-554-5
RTECS :EM9253500 for cas# 67883-79-8
chemidplus :067883798
EPA Substance Registry Services :67883-79-8
references :
 
[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
fl. number :09.559
jecfa number :1277
NIST Chemistry WebBook :67883798
pubchem :40723209
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
cis-hex-3-ene-1-yl trans-2-methyl-2-butenoate
[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
(Z)-3-hexen-1-yl (E)-2-methyl 2-butenoate
(Z)-3-hexen-1-yl 2-methyl crotonate
cis-3-hexen-1-yl 2-methyl crotonate
(Z)-3-hexen-1-yl alpha-methyl crotonate
cis-3-hexen-1-yl alpha-methyl crotonate
(Z)-3-hexen-1-yl tiglate
cis-3-hexen-1-yl tiglate
cis-3-hexen-1-yl trans-2-methyl 2-butenoate
cis-3-hexen-1-yl-2-methyl-trans-2-butenoate
(Z)-3-hexenyl (E)-2-methyl 2-butenoate
(Z)-3-hexenyl tiglate
cis-3-hexenyl tiglate
cis-3-hexenyl trans-2-methyl 2-butenoate
(2E)-2-methyl-2-butenoic acid (3Z)-3-hexen-1-yl ester
(E,Z)-2-methyl-2-butenoic acid 3-hexen-1-yl ester
Similar Products:    note
 allyl tiglate
 amyl tiglate
isoamyl tiglate
 benzyl methyl tiglate
 benzyl tiglate
 butyl tiglate
isobutyl tiglate
 cinnamyl tiglate
(E)-citronellyl tiglate
(E)-ethyl tiglate
 geranyl methyl tiglate
 geranyl tiglate
 hexyl tiglate
 methyl tiglate
3-octyl tiglate
 phenethyl tiglate
 propyl tiglate
isopropyl tiglate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
 algae absoluteFR
 allyl amyl glycolateFR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
 amyl formateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisyl alcoholFL/FR
 bay leaf oilFL/FR
 benzyl acetateFL/FR
 benzyl disulfideFL
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
 bornyl formateFL/FR
isobutyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
para-cresyl caprylateFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dibenzyl etherFL/FR
 diethyl malonateFL/FR
 dihydromyrcenolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dodecanalFL/FR
 ethyl heptanoateFL/FR
2-ethyl-4,5-dimethyl oxazoleFL
 fern absolute 
 fir needle oilFL/FR
 floral pyranolFR
 galbanum oilFL/FR
 gardenia oxideFR
 geranium absoluteFL/FR
 geranyl acetateFL/FR
 grapefruit menthaneFL/FR
 green acetateFR
delta-heptalactoneFL/FR
(E)-2-hepten-1-alFL
(Z)-4-hepten-1-alFL/FR
(E)-4-hexen-1-alFL
(Z)-3-hexen-1-olFL/FR
4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 ionones 
2,4-ivy carbaldehydeFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
2-methyl thiazoleFL
4-(methyl thio) butanolFL
3-(methyl thio) hexanolFL
tris(methyl thio) methaneFL
3-(5-methyl-2-furyl) butanalFL
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 neryl acetateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanalFL/FR
(Z)-6-nonen-1-olFL/FR
1-nonen-3-olFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 octanalFL/FR
3-octanolFL/FR
2-octen-1-olFL/FR
1-octen-3-olFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 octyl isobutyrateFL/FR
1-penten-3-olFL/FR
2-pentyl furanFL/FR
 pepper oil blackFL/FR
 petitgrain oilFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
2-phenyl propyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
1-phenyl-2-pentanolFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
2-isopropyl-3-(methyl thio) pyrazineFL
 propylene glycol acetone ketalFL
 rose butanoateFL/FR
 rose oxides 
 spruce oilFL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
10-undecen-1-alFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 woody acetateFR
 woody amyleneFR
potential uses :
 banana
 bark
 fern fougere
 floral
 foliage
 gardenia
 green
 herbal
 jasmin
 leaf green leaf
 mango
 melon watermelon muskmelon cantaloupe
 moss
 mushroom
 pepper bell pepper
 tomato
 woody
natural occurrence in :    note
data pagechampaca concrete @ 0.02% S
 gardenia  
data pagevassoura oil @ <0.01% S

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